SCHEMBL23909044

SCHEMBL23909044

CCOC(=O)c1cc2cc(Cl)c(OCC(F)F)cc2n1COCC[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.34
NOD1 Q9Y239 2/20 0.34
MAPT P10636 6/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 1/20 0.32
PTGES O14684 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DGAT1 O75907 2/20 0.31
NPC1 O15118 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23914623 0.88 NOD2 (0.36) NOD2NOD1MAPTALDH1A1POLB
SCHEMBL23914624 0.87 NOD2 (0.34) NOD2NOD1MAPTALDH1A1POLB
SCHEMBL23909113 0.81 GRM2 (0.32) MAPTPTGESNPC1GRM2
SCHEMBL23909051 0.80 GRM2 (0.31) GRM2
SCHEMBL21355931 0.78 NOD2 (0.44) NOD2NOD1MAPTALDH1A1MEN1
SCHEMBL15746136 0.76 NPC1 (0.38) MAPTALDH1A1POLBHTTMEN1
SCHEMBL23914598 0.75 KMO (0.39) KMT2A
SCHEMBL23909043 0.75 S1PR2 (0.48) ALDH1A1L3MBTL1NPSR1NPC1
SCHEMBL16792479 0.74 NOD2 (0.58) NOD2NOD1MAPTALDH1A1POLB
SCHEMBL30615642 0.74 NOD2 (0.58) NOD2NOD1MAPTALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 NOD2 1319/4885NOD1 416/4885MAPT 4876/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.